(2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide

C19H20F2N2O3 — CID 157475678

IUPAC(2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3F)cc2)CCO1
InChIInChI=1S/C19H20F2N2O3/c1-22-19(24)18-12-23(8-9-25-18)11-13-2-5-15(6-3-13)26-17-7-4-14(20)10-16(17)21/h2-7,10,18H,8-9,11-12H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyBVOIFYMGTOQNIC-SFHVURJKSA-N
MW362.38 g/mol
LogP2.70
Rot. Bonds5

About (2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide

(2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide (PubChem CID 157475678) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is (2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide
PubChem CID157475678
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name(2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3F)cc2)CCO1
InChIInChI=1S/C19H20F2N2O3/c1-22-19(24)18-12-23(8-9-25-18)11-13-2-5-15(6-3-13)26-17-7-4-14(20)10-16(17)21/h2-7,10,18H,8-9,11-12H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyBVOIFYMGTOQNIC-SFHVURJKSA-N
XLogP2.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide
CID 146522960
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide
CID 155981047
(2S)-N-ethyl-4-[(3-phenoxyphenyl)methyl]morpholine-2-carboxamide
CID 125486482
4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 86786686
methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate
CID 115882746
(2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
CID 146526470
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
CID 65067073
N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
CID 166602296
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide (CID 157475678) is (2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide is CNC(=O)[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3F)cc2)CCO1.
What is the InChIKey of (2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is BVOIFYMGTOQNIC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-22-19(24)18-12-23(8-9-25-18)11-13-2-5-15(6-3-13)26-17-7-4-14(20)10-16(17)21/h2-7,10,18H,8-9,11-12H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of (2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide?
(2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 157475678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).